methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate

C19H21NO4S — CID 18078996

IUPACmethyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate
SMILESCCOc1ccccc1NC(=O)C(SCC(=O)OC)c1ccccc1
InChIInChI=1S/C19H21NO4S/c1-3-24-16-12-8-7-11-15(16)20-19(22)18(25-13-17(21)23-2)14-9-5-4-6-10-14/h4-12,18H,3,13H2,1-2H3,(H,20,22)
InChIKeyIMYWFHMAGBHPPT-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.67
Rot. Bonds8

About methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate

methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate (PubChem CID 18078996) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate
PubChem CID18078996
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC Namemethyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate
SMILESCCOc1ccccc1NC(=O)C(SCC(=O)OC)c1ccccc1
InChIInChI=1S/C19H21NO4S/c1-3-24-16-12-8-7-11-15(16)20-19(22)18(25-13-17(21)23-2)14-9-5-4-6-10-14/h4-12,18H,3,13H2,1-2H3,(H,20,22)
InChIKeyIMYWFHMAGBHPPT-UHFFFAOYSA-N
XLogP3.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide
CID 8907250
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide
CID 7228798
1-benzhydryl-3-(2-ethoxyphenyl)urea
CID 108867539
(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
N-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide
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N-[4-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]pentanamide
CID 23095714
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-phenylsulfanylacetate
CID 8948060
2-(1-benzylimidazol-2-yl)sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16580437
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16572356
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16539544
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16539497

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate?
The IUPAC name of methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate (CID 18078996) is methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate.
What is the SMILES notation for methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate?
The canonical SMILES for methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate is CCOc1ccccc1NC(=O)C(SCC(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate?
The InChIKey is IMYWFHMAGBHPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-3-24-16-12-8-7-11-15(16)20-19(22)18(25-13-17(21)23-2)14-9-5-4-6-10-14/h4-12,18H,3,13H2,1-2H3,(H,20,22).
What are the key properties of methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate?
methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate has a molecular weight of 359.45 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate is sourced from PubChem (CID 18078996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).